KEGG   DRUG: Treprostinil
Entry
D06213                      Drug                                   
Name
Treprostinil (JAN/USAN/INN);
Remodulin (TN)
Product
TREPROSTINIL (United Therapeutics Corporation), TYVASO (United Therapeutics Corporation), TYVASO DPI (United Therapeutics Corporation)
  Generic
TREPROSTINIL (Alembic Pharmaceuticals), TREPROSTINIL (Par Pharmaceutical), TREPROSTINIL (Sandoz), TREPROSTINIL (Teva Parenteral Medicines), WATER (Dr.Reddy's Laboratories Inc.,)
Formula
C23H34O5
Exact mass
390.2406
Mol weight
390.51
Structure
Simcomp
Class
Blood modifier agent
 DG01950  Antithrombotic agent
  DG01712  Antiplatelet agent
Hormonal agent
 DG01961  Prostaglandin derivative
  DG01810  Prostacycline derivative
Metabolizing enzyme substrate
 DG02918  CYP2C8 substrate
Remark
Therapeutic category: 2190
ATC code: B01AC21
Chemical structure group: DG00161
Product (DG00161): D06213<JP/US> D10430<US>
Efficacy
Anticoagulant, Antihypertensive, Vasodilator, Platelet aggregation inhibitor, Prostaglandin I2 receptor agonist
  Disease
Pulmonary arterial hypertension [DS:H01621]
Comment
Prostacycline derivative
Target
PTGIR [HSA:5739] [KO:K04263]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04611  Platelet activation
Metabolism
Enzyme: CYP2C8 [HSA:1558]
Interaction
Structure map
map07228  Eicosanoid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 B BLOOD AND BLOOD FORMING ORGANS
  B01 ANTITHROMBOTIC AGENTS
   B01A ANTITHROMBOTIC AGENTS
    B01AC Platelet aggregation inhibitors excl. heparin
     B01AC21 Treprostinil
      D06213  Treprostinil (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Pulmonary Antihypertensives
   Prostacyclin Vasodilators
    Treprostinil
     D06213  Treprostinil (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   219  Miscellaneous
    2190  Miscellaneous
     D06213  Treprostinil (JAN/USAN/INN)
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00161  Treprostinil
     D06213  Treprostinil
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
    DG00161  Treprostinil
     D06213  Treprostinil
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00161  Treprostinil
    D06213  Treprostinil
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Prostacyclin
    PTGIR
     D06213  Treprostinil (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D06213
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06213
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06213
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D06213
Drug groups [BR:br08330]
 Blood modifier agent
  DG01950  Antithrombotic agent
   DG01712  Antiplatelet agent
    DG00161  Treprostinil
 Hormonal agent
  DG01961  Prostaglandin derivative
   DG01810  Prostacycline derivative
    DG00161  Treprostinil
 Metabolizing enzyme substrate
  DG02918  CYP2C8 substrate
   DG00161  Treprostinil
Other DBs
CAS: 81846-19-7
PubChem: 47207871
ChEBI: 50861
PDB-CCD: Y9J[PDBj]
LigandBox: D06213
NIKKAJI: J430.982K
LinkDB
KCF data

ATOM        28
            1   C1x C    18.2700  -24.7100
            2   C1y C    19.0400  -25.9000
            3   C1y C    20.3700  -25.4800
            4   C1y C    20.3700  -24.0800
            5   C1y C    19.0400  -23.5900
            6   C1b C    21.5600  -26.1800
            7   C1b C    22.7500  -25.4800
            8   C1c C    23.9400  -26.1800
            9   C1b C    25.1300  -25.4800
            10  O1a O    23.9400  -27.5800
            11  C1b C    26.3200  -26.1800
            12  C1b C    27.5100  -25.4800
            13  C1b C    28.7000  -26.1800
            14  C1a C    29.8900  -25.4800
            15  O1a O    18.5500  -27.2300
            16  C1x C    21.4200  -23.1700
            17  C8y C    21.2100  -21.7700
            18  C8y C    19.8800  -21.2800
            19  C1x C    18.8300  -22.1900
            20  C8x C    22.2600  -20.9300
            21  C8x C    22.0500  -19.5300
            22  C8x C    20.7200  -19.0400
            23  C8y C    19.6700  -19.9500
            24  O2a O    18.4800  -19.2500
            25  C1b C    17.2900  -19.9500
            26  C6a C    16.1000  -19.2500
            27  O6a O    14.9100  -19.9500
            28  O6a O    16.1000  -17.8500
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     3   6 1 #Up
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    8  10 1 #Down
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    2  15 1 #Down
            16    4  16 1 #Down
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20    5  19 1 #Down
            21   17  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   18  23 2
            26   24  23 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 2

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